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1UJM
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BU of 1ujm by Molmil
Crystal structure of aldehyde reductase 2 from Sporobolomyces salmonicolor AKU4429
分子名称: Aldehyde reductase II, SULFATE ION
著者Kamitori, S, Iguchi, A, Ohtaki, A, Kita, K.
登録日2003-08-06
公開日2004-10-12
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Crystal structure of aldehyde reductase 2 from Sporobolomyces salmonicolor AKU4429 at 2.0 A resolution
To be Published
5A9U
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BU of 5a9u by Molmil
Structure of C1156Y Mutant Human Anaplastic Lymphoma Kinase in Complex with PF-06463922 ((10R)-7-amino-12-fluoro-2,10,16-trimethyl- 15-oxo-10,15,16,17-tetrahydro-2H-8,4-(metheno)pyrazolo(4,3-h)(2,5,11) benzoxadiazacyclotetradecine-3-carbonitrile).
分子名称: (10R)-7-amino-12-fluoro-2,10,16-trimethyl-15-oxo-10,15,16,17-tetrahydro-2H-8,4-(metheno)pyrazolo[4,3-h][2,5,11]benzoxadiazacyclotetradecine-3-carbonitrile, ALK TYROSINE KINASE RECEPTOR
著者McTigue, M, Deng, Y.-L, Liu, W, Brooun, A, Stewart, A.
登録日2015-07-22
公開日2016-06-08
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Resensitization to Crizotinib by the Lorlatinib Alk Resistance Mutation L1198F.
N.Engl.J.Med., 374, 2016
5T29
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BU of 5t29 by Molmil
Crystal structure of 10E8 Fab light chain mutant3, against the MPER region of the HIV-1 Env, in complex with the MPER epitope scaffold T117v2
分子名称: 10E8 EPITOPE SCAFFOLD T117V2, Antibody 10E8 FAB HEAVY CHAIN, Antibody 10E8 FAB LIGHT CHAIN, ...
著者Irimia, A, Wilson, I.A.
登録日2016-08-23
公開日2017-03-08
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.03 Å)
主引用文献Lipid interactions and angle of approach to the HIV-1 viral membrane of broadly neutralizing antibody 10E8: Insights for vaccine and therapeutic design.
PLoS Pathog., 13, 2017
5MF5
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BU of 5mf5 by Molmil
PA3825-EAL Mg-CdG Structure
分子名称: 9,9'-[(2R,3R,3aS,5S,7aR,9R,10R,10aS,12S,14aR)-3,5,10,12-tetrahydroxy-5,12-dioxidooctahydro-2H,7H-difuro[3,2-d:3',2'-j][1,3,7,9,2,8]tetraoxadiphosphacyclododecine-2,9-diyl]bis(2-amino-1,9-dihydro-6H-purin-6-one), Diguanylate phosphodiesterase, MAGNESIUM ION
著者Horrell, S, Bellini, D, Strange, R, Wagner, A, Walsh, M.
登録日2016-11-17
公開日2016-12-21
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.77 Å)
主引用文献Dimerisation induced formation of the active site and the identification of three metal sites in EAL-phosphodiesterases.
Sci Rep, 7, 2017
4BNF
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BU of 4bnf by Molmil
Crystal structure of S. aureus FabI in complex with NADP and 2- phenoxy-5-propylphenol
分子名称: 2-phenoxy-5-propyl-phenol, ENOYL-[ACYL-CARRIER-PROTEIN] REDUCTASE [NADPH], GLUTAMIC ACID, ...
著者Schiebel, J, Chang, A, Bommineni, G.R, Tonge, P.J, Kisker, C.
登録日2013-05-15
公開日2013-06-05
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Rational Optimization of Drug-Target Residence Time: Insights from Inhibitor Binding to the S. Aureus Fabi Enzyme-Product Complex.
Biochemistry, 52, 2013
8W02
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BU of 8w02 by Molmil
Q108K:K40L:T51V:T53S:R58W mutant of hCRBPII bound to synthetic fluorophore TD-1V
分子名称: (2E)-3-{5-[4-(dimethylamino)phenyl]thiophen-2-yl}but-2-enal, ACETATE ION, Retinol-binding protein 2
著者Ghanbarpour, A, Geiger, J.H, Borhan, B.
登録日2024-02-13
公開日2024-04-03
最終更新日2024-08-07
実験手法X-RAY DIFFRACTION (1.499 Å)
主引用文献Regulation of Absorption and Emission in a Protein/Fluorophore Complex.
Acs Chem.Biol., 2024
5MEI
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BU of 5mei by Molmil
Crystal structure of Agelastatin A bound to the 80S ribosome
分子名称: 18S ribosomal RNA, 25S ribosomal RNA, 40S ribosomal protein S0-A, ...
著者McClary, B, Zinshteyn, B, Meyer, M, Jouanneau, M, Pellegrino, S, Yusupova, G, Schuller, A, Reyes, J.C.P, Lu, J, Luo, C, Dang, Y, Romo, D, Yusupov, M, Green, R, Liu, J.O.
登録日2016-11-15
公開日2017-06-28
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (3.5 Å)
主引用文献Inhibition of Eukaryotic Translation by the Antitumor Natural Product Agelastatin A.
Cell Chem Biol, 24, 2017
5AFM
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BU of 5afm by Molmil
alpha7-AChBP in complex with lobeline and fragment 4
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 4,5-dibromo-N-(3-hydroxypropyl)-1H-pyrrole-2-carboxamide, ACETYLCHOLINE-BINDING PROTEIN, ...
著者Spurny, R, Debaveye, S, Farinha, A, Veys, K, Gossas, T, Atack, J, Bertrand, D, Kemp, J, Vos, A, Danielson, U.H, Tresadern, G, Ulens, C.
登録日2015-01-22
公開日2015-05-06
最終更新日2020-07-29
実験手法X-RAY DIFFRACTION (2.85 Å)
主引用文献Molecular Blueprint of Allosteric Binding Sites in a Homologue of the Agonist-Binding Domain of the Alpha7 Nicotinic Acetylcholine Receptor.
Proc.Natl.Acad.Sci.USA, 112, 2015
4BNM
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BU of 4bnm by Molmil
Crystal structure of S. aureus FabI in complex with NADP and 5-hexyl- 2-(2-methylphenoxy)phenol
分子名称: 5-HEXYL-2-(2-METHYLPHENOXY)PHENOL, ENOYL-[ACYL-CARRIER-PROTEIN] REDUCTASE [NADPH], GLUTAMIC ACID, ...
著者Schiebel, J, Chang, A, Bommineni, G.R, Tonge, P.J, Kisker, C.
登録日2013-05-15
公開日2013-06-05
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2.35 Å)
主引用文献Rational Optimization of Drug-Target Residence Time: Insights from Inhibitor Binding to the S. Aureus Fabi Enzyme-Product Complex.
Biochemistry, 52, 2013
8VRD
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BU of 8vrd by Molmil
Rigid body fitted model for free recombinant gamma tubulin ring complex.
分子名称: Actin, cytoplasmic 1, Gamma-tubulin complex component 3, ...
著者Aher, A, Urnavicius, L, Kapoor, T.M.
登録日2024-01-21
公開日2024-03-27
実験手法ELECTRON MICROSCOPY (7 Å)
主引用文献Rigid body fitted model for free recombinant gamma tubulin ring complex.
To be published
5AFJ
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BU of 5afj by Molmil
alpha7-AChBP in complex with lobeline and fragment 1
分子名称: (3S)-6-(4-bromophenyl)-3-hydroxy-1,3-dimethyl-2,3-dihydropyridin-4(1H)-one, 2-acetamido-2-deoxy-beta-D-glucopyranose, ACETYLCHOLINE-BINDING PROTEIN, ...
著者Spurny, R, Debaveye, S, Farinha, A, Veys, K, Gossas, T, Atack, J, Bertrand, D, Kemp, J, Vos, A, Danielson, U.H, Tresadern, G, Ulens, C.
登録日2015-01-22
公開日2015-05-06
最終更新日2020-07-29
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Molecular Blueprint of Allosteric Binding Sites in a Homologue of the Agonist-Binding Domain of the Alpha7 Nicotinic Acetylcholine Receptor.
Proc.Natl.Acad.Sci.USA, 112, 2015
2I71
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BU of 2i71 by Molmil
Crystal structure of a Conserved Protein of Unknown Function from Sulfolobus solfataricus P2
分子名称: Hypothetical protein, MAGNESIUM ION
著者Tan, K, Skarina, T, Onopriyenko, O, Savchenko, A, Edwards, A, Joachimiak, A, Midwest Center for Structural Genomics (MCSG)
登録日2006-08-30
公開日2006-10-03
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献The crystal structure of a Conserved hypothetical protein from Sulfolobus solfataricus P2
To be Published
8RI5
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BU of 8ri5 by Molmil
Crystal structure of transplatin/B-DNA adduct obtained upon 48 h of soaking
分子名称: AMMONIA, DNA (5'-D(*CP*GP*CP*GP*AP*AP*TP*TP*CP*GP*CP*G)-3'), MAGNESIUM ION, ...
著者Tito, G, Troisi, R, Ferraro, G, Sica, F, Merlino, A.
登録日2023-12-18
公開日2024-02-07
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.415 Å)
主引用文献On the mechanism of action of arsenoplatins: arsenoplatin-1 binding to a B-DNA dodecamer.
Dalton Trans, 53, 2024
8QZ4
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BU of 8qz4 by Molmil
Crystal structure of human two pore domain potassium ion channel TREK-2 (K2P10.1) in complex with an activatory nanobody (Nb76)
分子名称: BARIUM ION, CHOLESTEROL HEMISUCCINATE, Nanobody 76, ...
著者Rodstrom, K.E.J, Pike, A.C.W, Baronina, A, Ang, J, Bushell, S.R, Chalk, R, Mukhopadhyay, S.M.M, Pardon, E, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Burgess-Brown, N.A, Tucker, S.J, Steyaert, J, Carpenter, E.P, Structural Genomics Consortium (SGC)
登録日2023-10-26
公開日2024-05-29
実験手法X-RAY DIFFRACTION (3.2 Å)
主引用文献Extracellular modulation of TREK-2 activity with nanobodies provides insight into the mechanisms of K2P channel regulation.
Nat Commun, 15, 2024
4BNK
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BU of 4bnk by Molmil
Crystal structure of S. aureus FabI in complex with NADP and 5-fluoro- 2-phenoxyphenol
分子名称: 5-fluoro-2-phenoxyphenol, CHLORIDE ION, ENOYL-[ACYL-CARRIER-PROTEIN] REDUCTASE [NADPH], ...
著者Schiebel, J, Chang, A, Bommineni, G.R, Tonge, P.J, Kisker, C.
登録日2013-05-15
公開日2013-06-05
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Rational Optimization of Drug-Target Residence Time: Insights from Inhibitor Binding to the S. Aureus Fabi Enzyme-Product Complex.
Biochemistry, 52, 2013
2HXI
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BU of 2hxi by Molmil
Structural Genomics, the crystal structure of a putative transcriptional regulator from Streptomyces coelicolor A3(2)
分子名称: Putative transcriptional regulator
著者Tan, K, Xu, X, Zheng, H, Savchenko, A, Edwards, A, Joachimiak, A, Midwest Center for Structural Genomics (MCSG)
登録日2006-08-03
公開日2006-09-05
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献The crystal structure of a putative transcriptional regulator TetR from Streptomyces coelicolor A3(2)
To be Published
5MB3
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BU of 5mb3 by Molmil
Fragment 333 at a concentration of 50mM in complex with Endothiapepsin
分子名称: 4-propan-2-ylsulfanyl-1-propyl-6,7-dihydro-5~{H}-cyclopenta[d]pyrimidin-2-one, ACETATE ION, Endothiapepsin, ...
著者Radeva, N, Heine, A, Klebe, G.
登録日2016-11-07
公開日2017-12-20
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.049 Å)
主引用文献Comparison of cocktails versus single soaking experiments
To Be Published
8QZ1
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BU of 8qz1 by Molmil
Crystal structure of human two pore domain potassium ion channel TREK-2 (K2P10.1) in complex with a nanobody (Nb58)
分子名称: Isoform B of Potassium channel subfamily K member 10, Nanobody 58, POTASSIUM ION
著者Rodstrom, K.E.J, Pike, A.C.W, Baronina, A, Ang, J, Bushell, S.R, Chalk, R, Mukhopadhyay, S.M.M, Pardon, E, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Burgess-Brown, N.A, Tucker, S.J, Steyaert, J, Carpenter, E.P, Structural Genomics Consortium (SGC)
登録日2023-10-26
公開日2024-05-29
実験手法X-RAY DIFFRACTION (3.588 Å)
主引用文献Extracellular modulation of TREK-2 activity with nanobodies provides insight into the mechanisms of K2P channel regulation.
Nat Commun, 15, 2024
8QZ2
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BU of 8qz2 by Molmil
Crystal structure of human two pore domain potassium ion channel TREK-2 (K2P10.1) in complex with an inhibitory nanobody (Nb61)
分子名称: Nanobody 61, POTASSIUM ION, Potassium channel subfamily K member 10
著者Baronina, A, Pike, A.C.W, Rodstrom, K.E.J, Ang, J, Bushell, S.R, Chalk, R, Mukhopadhyay, S.M.M, Pardon, E, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Burgess-Brown, N.A, Tucker, S.J, Steyaert, J, Carpenter, E.P, Structural Genomics Consortium (SGC)
登録日2023-10-26
公開日2024-05-29
実験手法X-RAY DIFFRACTION (3.5 Å)
主引用文献Extracellular modulation of TREK-2 activity with nanobodies provides insight into the mechanisms of K2P channel regulation.
Nat Commun, 15, 2024
5N50
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BU of 5n50 by Molmil
Crystal structure of human Pim-1 kinase in complex with a consensus peptide and fragment like molecule 2-(4-chlorophenyl)sulfanylacetohydrazide
分子名称: 2-(4-chlorophenyl)sulfanylethanehydrazide, Pimtide, Serine/threonine-protein kinase pim-1
著者Siefker, C, Heine, A, Klebe, G.
登録日2017-02-11
公開日2018-02-28
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.92 Å)
主引用文献A crystallographic fragment study with human Pim-1 kinase
to be published
1KUW
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BU of 1kuw by Molmil
High-Resolution Structure and Localization of Amylin Nucleation Site in Detergent Micelles
分子名称: Islet amyloid polypeptide
著者Mascioni, A, Porcelli, F, Ilangovan, U, Ramamoorthy, A, Veglia, G.
登録日2002-01-22
公開日2003-09-02
最終更新日2024-05-22
実験手法SOLUTION NMR
主引用文献Conformational preferences of the amylin nucleation site in SDS micelles: an NMR study.
Biopolymers, 69, 2003
8RE0
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BU of 8re0 by Molmil
Soluble glucose dehydrogenase from acinetobacter calcoaceticus - double mutant pH8
分子名称: 3-(3,5-dicarboxy-1~{H}-pyrrol-2-yl)pyridine-2,4,6-tricarboxylic acid, CALCIUM ION, LITHIUM ION, ...
著者Lublin, V, Chavas, L, Stines-Chaumeil, C, Kauffmann, B, Giraud, M.F, Thompson, A.
登録日2023-12-09
公開日2024-05-08
最終更新日2024-06-05
実験手法X-RAY DIFFRACTION (1.56 Å)
主引用文献Does Acinetobacter calcoaceticus glucose dehydrogenase produce self-damaging H2O2?
Biosci.Rep., 44, 2024
8RG1
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BU of 8rg1 by Molmil
Soluble glucose dehydrogenase from acinetobacter calcoaceticus - wild type pH8
分子名称: 3-(3,5-dicarboxy-1~{H}-pyrrol-2-yl)pyridine-2,4,6-tricarboxylic acid, CALCIUM ION, LITHIUM ION, ...
著者Lublin, V, Chavas, L, Stines-Chaumeil, C, Kauffmann, B, Giraud, M.F, Thompson, A.
登録日2023-12-13
公開日2024-05-08
最終更新日2024-06-05
実験手法X-RAY DIFFRACTION (1.19 Å)
主引用文献Does Acinetobacter calcoaceticus glucose dehydrogenase produce self-damaging H2O2?
Biosci.Rep., 44, 2024
1RY7
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BU of 1ry7 by Molmil
Crystal Structure of the 3 Ig form of FGFR3c in complex with FGF1
分子名称: Fibroblast growth factor receptor 3, Heparin-binding growth factor 1
著者Olsen, S.K, Ibrahimi, O.A, Raucci, A, Zhang, F, Eliseenkova, A.V, Yayon, A, Basilico, C, Linhardt, R.J, Schlessinger, J, Mohammadi, M.
登録日2003-12-19
公開日2004-02-10
最終更新日2023-08-23
実験手法X-RAY DIFFRACTION (3.2 Å)
主引用文献Insights into the molecular basis for fibroblast growth factor receptor autoinhibition and ligand-binding promiscuity.
Proc.Natl.Acad.Sci.Usa, 101, 2004
5NAX
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BU of 5nax by Molmil
Crystal structures of homooligomers of the non-collagenous domains of collagen type IV. alpha121NC1
分子名称: CHLORIDE ION, Collagen alpha-1(IV) chain, Collagen alpha-2(IV) chain
著者Casino, P, Marina, A.
登録日2017-02-28
公開日2018-09-12
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2.82 Å)
主引用文献Structures of collagen IV globular domains: insight into associated pathologies, folding and network assembly.
IUCrJ, 5, 2018

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